(2S)-N-ethyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetyl]amino]propionamide Formula: C15H25N4O4S2+ MolecularWeight: 389.5134

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H24N4O4S2/c1-3-16-15(21)12(2)17-13(20)11-18-6-8-19(9-7-18)25(22,23)14-5-4-10-24-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,16,21)(H,17,20)/p+1/t12-/m0/s1